Extending the Classical Continuum Theory to Describe Water Flow through Two-Dimensional Nanopores.

Abstract

Water flow through two-dimensional nanopores has attracted significant attention owing to the promising water purification technology based on atomically thick membranes. However, the theoretical description of water flow in nanopores based on the classical continuum theory is very challenging owing to the pronounced entrance/exit effects. Here, we extend the classical Hagen-Poiseuille equation for describing the relationship between flow rate and pressure loss in laminar tube flow to two-dimensional nanopores. A totally theoretical model is established by appropriately considering the velocity slip on pore surfaces both in the friction pressure loss and entrance/exit pressure loss. Based on molecular dynamics simulations of water flow through graphene nanopores, it is shown that the model can not only well predict the overall flow rate but also give a good estimation of the velocity profiles. As the pore radius and length increase, the model can reduce to the equations applicable to the fluid flow in infinitely/finitely long nanotubes, thin orifices, and macroscale tubes, showing an accurate prediction of the existing experimental and simulation data of the water flow through nanotubes and nanopores in the literature. Namely, the presented model is a unified model that can uniformly describe the fluid flow from nanoscales to macroscales by modifying the classical continuum theory.